[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-fluoranyl-4-methoxy-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H12FN5O3 MolecularWeight: 293.253783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)N)N)F

InChI

InChI=1S/C12H12FN5O3/c1-20-8-3-2-6(4-7(8)13)10(19)21-5-9-16-11(14)18-12(15)17-9/h2-4H,5H2,1H3,(H4,14,15,16,17,18)